N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine

C30H46N6 — CID 158216274

IUPACN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(CN(CC2CC2)C2CCNCC2)ccn1.c1cncc(CN(CC2CC2)C2CCNCC2)c1
InChIInChI=1S/2C15H23N3/c1-2-13(1)11-18(15-5-9-17-10-6-15)12-14-3-7-16-8-4-14;1-2-14(10-17-7-1)12-18(11-13-3-4-13)15-5-8-16-9-6-15/h3-4,7-8,13,15,17H,1-2,5-6,9-12H2;1-2,7,10,13,15-16H,3-6,8-9,11-12H2
InChIKeyGCROMNRXBGMDIM-UHFFFAOYSA-N
MW490.74 g/mol
LogP4.09
Rot. Bonds10

About N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 158216274) has the molecular formula C30H46N6 and a molecular weight of 490.74 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID158216274
Molecular FormulaC30H46N6
Molecular Weight490.74 g/mol
Exact Mass490.38
IUPAC NameN-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1cc(CN(CC2CC2)C2CCNCC2)ccn1.c1cncc(CN(CC2CC2)C2CCNCC2)c1
InChIInChI=1S/2C15H23N3/c1-2-13(1)11-18(15-5-9-17-10-6-15)12-14-3-7-16-8-4-14;1-2-14(10-17-7-1)12-18(11-13-3-4-13)15-5-8-16-9-6-15/h3-4,7-8,13,15,17H,1-2,5-6,9-12H2;1-2,7,10,13,15-16H,3-6,8-9,11-12H2
InChIKeyGCROMNRXBGMDIM-UHFFFAOYSA-N
XLogP4.09
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.74
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
CID 143113276
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CID 58624329
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
CID 59290842
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 158216274) is N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine is c1cc(CN(CC2CC2)C2CCNCC2)ccn1.c1cncc(CN(CC2CC2)C2CCNCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is GCROMNRXBGMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23N3/c1-2-13(1)11-18(15-5-9-17-10-6-15)12-14-3-7-16-8-4-14;1-2-14(10-17-7-1)12-18(11-13-3-4-13)15-5-8-16-9-6-15/h3-4,7-8,13,15,17H,1-2,5-6,9-12H2;1-2,7,10,13,15-16H,3-6,8-9,11-12H2.
What are the key properties of N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 490.74 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 158216274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).